ChemSpider 2D Image | 11-(2,3-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C30H32N2O6

11-(2,3-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC30H32N2O6
  • Average mass516.585 Da
  • Monoisotopic mass516.226013 Da
  • ChemSpider ID3237842

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

11-(2,3-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
11-(2,3-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
11-(2,3-Diméthoxyphényl)-3-(3,4,5-triméthoxyphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-(2,3-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-3-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
11-(2,3-Dimethoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
11-(2,3-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3157/0133516 [DBID]
EU-0049607 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 660.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 357.18
ACD/KOC (pH 5.5): 2303.31
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 376.58
ACD/KOC (pH 7.4): 2428.36
Polar Surface Area: 87 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 400.4±5.0 cm3

Click to predict properties on the Chemicalize site


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